4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine

C15H12Cl2N2OS — CID 63479626

IUPAC4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
SMILESCc1cc(OCc2nc(Cl)c3ccsc3n2)cc(C)c1Cl
InChIInChI=1S/C15H12Cl2N2OS/c1-8-5-10(6-9(2)13(8)16)20-7-12-18-14(17)11-3-4-21-15(11)19-12/h3-6H,7H2,1-2H3
InChIKeyPWTFWPSELHEALX-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.19
Rot. Bonds3

About 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine

4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine (PubChem CID 63479626) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
PubChem CID63479626
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
SMILESCc1cc(OCc2nc(Cl)c3ccsc3n2)cc(C)c1Cl
InChIInChI=1S/C15H12Cl2N2OS/c1-8-5-10(6-9(2)13(8)16)20-7-12-18-14(17)11-3-4-21-15(11)19-12/h3-6H,7H2,1-2H3
InChIKeyPWTFWPSELHEALX-UHFFFAOYSA-N
XLogP5.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-[(2,4,5-trichlorophenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63480590
2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
CID 62187778
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555
4-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 62349675
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyridin-2-one
CID 62962688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine (CID 63479626) is 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine is Cc1cc(OCc2nc(Cl)c3ccsc3n2)cc(C)c1Cl.
What is the InChIKey of 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is PWTFWPSELHEALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-8-5-10(6-9(2)13(8)16)20-7-12-18-14(17)11-3-4-21-15(11)19-12/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine?
4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 339.25 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 63479626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).